SCHEMBL9989231

SCHEMBL9989231

CCC(C(N)=O)(c1ccccc1)c1cnoc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.42
KCNH2 Q12809 3/20 0.42
CHRM2 P08172 3/20 0.42
CHRM1 P11229 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 4/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
OPRK1 P41145 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
BLM P54132 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4030430 0.83 MAPT (0.55) CHRM3KCNH2CHRM2CHRM1LMNA
Hydrochloric Acid SCHEMBL5252883 0.81 MAPT (0.53) CHRM3KCNH2CHRM2CHRM1LMNA
SCHEMBL2202827 0.77 CHRM3 (0.47) CHRM3KCNH2CHRM2CHRM1LMNA
SCHEMBL9989235 0.74 MAPT (0.40) CHRM3KCNH2CHRM2CHRM1LMNA
SCHEMBL9989241 0.73 MAPT (0.39) MAPTKMT2ACYP3A4
SCHEMBL17596757 0.71 CYP3A4 (0.47) LMNACYP3A4TDP1
SCHEMBL2201632 0.70 KDM4E (0.43) CHRM3KCNH2CHRM2CHRM1LMNA
SCHEMBL9295790 0.70 CHRM3 (0.59) CHRM3KCNH2CHRM2CHRM1LMNA
SCHEMBL10552 0.70 OPRM1 (0.52) LMNAOPRM1OPRD1HTT
SCHEMBL20607354 0.69 OPRM1 (0.66) CHRM3KCNH2CHRM2CHRM1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed